⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3892377 | 0.76 | — | — | |
| SCHEMBL2172359 | 0.71 | — | — | |
| SCHEMBL2504128 | 0.69 | — | — | |
| SCHEMBL4631182 | 0.69 | — | — | |
| SCHEMBL11054121 | 0.69 | — | — | |
| SCHEMBL3886847 | 0.69 | — | — | |
| SCHEMBL140787 | 0.68 | — | — | |
| SCHEMBL2500166 | 0.67 | — | — | |
| SCHEMBL21438849 | 0.67 | — | — | |
| SCHEMBL284795 | 0.67 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112409118-A | Method for electrochemically synthesizing trans-4- (trans-4' -alkylcyclohexyl) cyclohexyl vinyl liquid crystal monomer | 惠泽化学科技(濮阳)有限公司 | 2021-02-26 | — | — | CN | disclosed |